(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Catalog No: FT-0773164

CAS No: 5894-59-7

Chemical Name: (2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Formula: C12H18O13
Molecular Weight: 370.26
InChI Key: IGSYEZFZPOZFNC-LKIWRGPLSA-N
InChI: InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11?,12-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
FW:	370.26400
CAS:	5894-59-7
MF:	C12H18O13
Flash_Point:	296.6ºC
Product_Name:	digalacturonic acid
Bolling_Point:	793.8ºC at 760 mmHg
Density:	1.97 g/cm3

FW:	370.26400
Refractive_Index:	1.682
Flash_Point:	296.6ºC
Bolling_Point:	793.8ºC at 760 mmHg
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Computational_Chemistry:	['1 . XlogP -38 ', '2 . Hydrogen Bond Donor Count 8 ', '3 . Hydrogen Bond Acceptor Count 13 ', '4 . Rotatable Bond Count 4 ', '5 . Isotope Atom Count ', '6 . TPSA 224 ', '7 . Heavy Atom Count 25 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 511 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 9 ', '12 . Undefined Atom Stereocenter Count 1 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
MF:	C12H18O13
Exact_Mass:	370.07500
Molecular_Structure:	['1 . Molar refractive index 7103 ', '2 . Molar volume （m3/mol）1874 ', '3 . Parachor （902K）6387 ', '4 . Surface tension 1348 ', '5 . Polarizability （10 -24cm 3）2816']
Density:	1.97 g/cm3
PSA:	223.67000